ID: 138475
SMILES:CC(CCCC(C)(O)C1CCC(C(OC2C(O)C(O)C(O)C(CO)O2)(C)C)O1)(c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 598.774
CB1 binding score: -16.591
InChIKey:LIMXJZAARQUYSW-UHFFFAOYSA-N
ID: 138476
SMILES:c1c(C(=O)c2c(CCCCC)ccc(C3C=C(C)C(O)CC3C(C)=C)c2O)occ1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -13.89
InChIKey:SRLNWUSLIWXCTI-UHFFFAOYSA-N
ID: 138477
SMILES:C(CCCc1cc2c(c(O)c1)C1(O)CC(O)C(C)(C)OC1=C(C)C2=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.699
InChIKey:ZNZPNOJZCXNUMP-UHFFFAOYSA-N
ID: 138478
SMILES:CC1CC(c2c(O)cc(CCC)cc2OC)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.927
InChIKey:DIGBRLOEZYTYLT-UHFFFAOYSA-N
ID: 138479
SMILES:Oc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.218
InChIKey:UZWBOVFGUISXLX-UHFFFAOYSA-N
ID: 138480
SMILES:C1(c2ccc(O)cc2)Oc2cc(CCC)cc(O)c2C2C(C(C)(C)O)CCC(C)=C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -16.439
InChIKey:GZVXZUOZTIJVAM-UHFFFAOYSA-N
ID: 138481
SMILES:c1(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.798
InChIKey:KDZOUSULXZNDJH-UHFFFAOYSA-N
ID: 138482
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 138483
SMILES:c12c(O)cc(Br)c(OC)c1C1C(C(C)(C)O2)CC(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 369.255
CB1 binding score: -14.778
InChIKey:LJFWRJSGGNNMJK-UHFFFAOYSA-N
ID: 138484
SMILES:c1(C(C2CC(C)(C)CCCC(C)=C2)c2c(O)cc(CCCCC)cc2OC)ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.664
CB1 binding score: -14.848
InChIKey:HIXQFWXKCXXQOC-UHFFFAOYSA-N
ID: 138485
SMILES:Oc1cc(OC)cc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.6
InChIKey:UVJRETFPCJNCSZ-UHFFFAOYSA-N
ID: 138486
SMILES:O1C(C)(CCC2C(C)(C)O2)C=Cc2c1c(OC)c(O)c(C)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -14.605
InChIKey:GRHZXVSRHJFURA-UHFFFAOYSA-N
ID: 138487
SMILES:C(C1CCC(C)=CC1c1c(O)cc(C(CC(C)C)=O)c(O)c1C(C(C)C)OC(C)=O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.063
InChIKey:SBRLFQMQWZULPW-UHFFFAOYSA-N
ID: 138488
SMILES:C1CC(C)=CC(c2cc(CCN(C)C)ccc2OC)C1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 138489
SMILES:c1(C)cc(Cl)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.807
CB1 binding score: -18.449
InChIKey:VCQIAAHSAFHVMY-UHFFFAOYSA-N
ID: 138490
SMILES:CC(C)=CCc1cc(O)cc(CC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.748
InChIKey:VRXKPPYOGGSRFK-UHFFFAOYSA-N
ID: 138491
SMILES:C1(OC(C)=O)C2C(C)(CCC1C(C)(O)C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -14.648
InChIKey:XBGRHTGTIJYVCN-UHFFFAOYSA-N
ID: 138492
SMILES:C1=C(C)C(O)C(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.224
InChIKey:FTRRSPPOMZCCCX-UHFFFAOYSA-N
ID: 138493
SMILES:c1c(COC2([CH])CCC3(C(C)C)C2C3C(Oc2c(OC)cc(CCCCC)cc2OC)=O)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 578.79
CB1 binding score: -9.573
InChIKey:ZXTPTWLCAJBEMN-UHFFFAOYSA-N
ID: 138494
SMILES:C(c1c(O)c2c(c(OC)c1)OC(C)(C)C1C2CC(CO)CC1=O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.065
InChIKey:OBUAAAHGFQKEEK-UHFFFAOYSA-N
ID: 138495
SMILES:Oc1cc(CCCCC)cc(O)c1C1C=C(C)CCC1(C=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.223
InChIKey:LVYJMYBCDIZLGR-UHFFFAOYSA-N